The infrared spectrum of spessartine : An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0)

✍ Scribed by L. Maschio; M. Ferrabone; A. Meyer; J. Garza; R. Dovesi

• Book ID: 108109299
• Publisher: Elsevier Science
• Year: 2011
• Tongue: English
• Weight: 895 KB
• Volume: 501
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/j.cplett.2010.11.072